UCSF

ZINC35283314

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 32 No

Popular Name: (4E,5R)-1-(2-dimethylaminoethyl)-4-[(3-ethoxyphenyl)-hydroxy-methylene]-5-(4-isopropylphenyl)pyrroli (4E,5R)-1-(2-dimethylaminoethyl)…

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Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.33 11.49 -72.88 1 6 0 74 436.552 9 ↓
Lo Low (pH 4.5-6) 4.33 10.75 -49.67 2 6 1 71 437.56 9 ↓

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )